N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-7-methyl-4-sulfanylidene-thieno[2,3-b]pyridine-5-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-7-methyl-4-sulfanylidene-thieno[2,3-b]pyridine-5-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-7-methyl-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-7-methyl-4-sulfanylidene-5-thieno[2,3-b]pyridinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-7-methyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide Traditional Name: N-(4-chlorobenzyl)-7-methyl-2-methylol-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide Formula: C17H15ClN2OS3 MolecularWeight: 394.9618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=S)C2=C1SC(=C2)CO)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=C(C(=S)C2=C1SC(=C2)CO)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2OS3/c1-20-8-14(15(22)13-6-12(9-21)24-17(13)20)16(23)19-7-10-2-4-11(18)5-3-10/h2-6,8,21H,7,9H2,1H3,(H,19,23)